Molecular Modeling Program for Structural Analysis and Design of Proteins using Java Language

DOI

Bibliographic Information

Other Title
  • タンパク質の構造解析と設計のためのJava言語による分子モデリングプログラムの開発

Abstract

A molecular modeling program MOLDA has been developed as a 3D data-interaction tool for computational chemistry. MOLDA has provided molecular modeling and graphics by using various format data including XML. It can work platform-independently if the Java virtual machine has been installed. The molecular structure data created by MOLDA can be also displayed by a cellular phone. In the present work, MOLDA has been implemented with the functions of the structural bioinformatics for the purpose of the post-genome research as follows: (1) The importing function of the PDB file is enhanced; (2) 3D structure of polypeptides can be generated by inputting the sequences; (3) The conformation of the polypeptide can be changed by reading the dihedral angle matrix; (4) An amino acid residue can be changed by the point mutation operation; (5) MOLDA enables 3D molecular graphics by Java3D, VRML and OpenInventor. MOLDA will become a useful tool for structure-based drug design (SBDD) by using the virtual reality technology.

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Details 詳細情報について

  • CRID
    1390001205736750080
  • NII Article ID
    130004575298
  • DOI
    10.11545/ciqs.toyoha.0.jp35.0
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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